环己基苯基乙腈
TL;DR: 环己基苯基乙腈 (CAS 3893-23-0) is a chemical compound with molecular formula C14H17N and molecular weight 199.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己基苯基乙腈
2-cyclohexyl-2-phenylacetonitrile
Also Known As: 2-cyclohexyl-2-phenylacetonitrile, Cyclohexylphenylacetonitrile, cyclohexyl(phenyl)acetonitrile, alpha-Cyclohexylphenylacetonitrile, DIPHENYLACETONITRILE
| Molecular Formula | C14H17N |
|---|---|
| Molecular Weight | 199.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.1361 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 3893-23-0 |
|---|---|
| SMILES | C1CCC(CC1)C(C#N)C2=CC=CC=C2 |
| InChIKey | IZSWBXTYTALSOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己基苯基乙腈 (CAS 3893-23-0), with molecular formula C14H17N and molecular weight 199.14 g/mol. IUPAC: 2-cyclohexyl-2-phenylacetonitrile.
Chemical Property Profile of 环己基苯基乙腈
Property Insights of 环己基苯基乙腈
The XLogP value of 4.4 indicates that 环己基苯基乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 环己基苯基乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己基苯基乙腈 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 环己基苯基乙腈?
The CAS number of 环己基苯基乙腈 is 3893-23-0.
What is the molecular formula of 环己基苯基乙腈?
The molecular formula of 环己基苯基乙腈 is C14H17N.
What is the molecular weight of 环己基苯基乙腈?
The molecular weight of 环己基苯基乙腈 is 199.14 g/mol.
Where can I buy 环己基苯基乙腈?
You can request a quote for 环己基苯基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己基苯基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 环己基苯基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.